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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50491094'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50491094
PNG
(CHEMBL2377092)
Show SMILES Nc1nc(nc2sc(Cc3ccccc3Cl)cc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C20H13ClN4S/c21-17-7-2-1-5-13(17)9-15-10-16-18(23)24-19(25-20(16)26-15)14-6-3-4-12(8-14)11-22/h1-8,10H,9H2,(H2,23,24,25)
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Article
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 25n/an/an/an/an/an/an/an/a



Janssen Research & Development, LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A1 receptor expressed in CHOK1 cells assessed as inhibition of R-PIA/forskolin-induced cAMP accumulation incub...

Bioorg Med Chem Lett 23: 2688-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.078
BindingDB Entry DOI: 10.7270/Q2222XPT
More data for this
Ligand-Target Pair